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Substance Name: 2,5-Diketogluconate
RN: 53736-12-2
InChIKey: RKFLKNFLAJISPF-OGXRZFKVSA-L

Molecular Formula

  • C6-H8-O7.x-Ca

Molecular Weight

  • 422.3066
 
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Names and Synonyms

Name of Substance

  • 2,5-Diketogluconate

Synonyms

  • 2,5-Diketo-D-gluconate
  • 2,5-Dioxo-D-gluconate

Systematic Name

  • D-threo-2,5-Hexodiulosonic acid, calcium salt

Registry Numbers

CAS Registry Number

  • 53736-12-2

System Generated Number

  • 0053736122

Molecular Formulas

Molecular Formula

  • C6-H8-O7.x-Ca

Molecular Formula Fragments

  • C6-H8-O7
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C6H8O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*3-4,7,9-10H,1H2,(H,12,13);/q;;+2/p-2/t2*3-,4+;/m11./s1

InChIKey

RKFLKNFLAJISPF-OGXRZFKVSA-L

Smiles

C(C(=O)[C@H]([C@@H](C(=O)C(=O)[O-])O)O)O.C(C(=O)[C@H]([C@@H](C(=O)C(=O)[O-])O)O)O.[Ca+2]